DE 71

Chemical Information
A key intermediate in metabolism. It is an acid compound found in citrus fruits. The salts of citric acid (citrates) can be used as anticoagulants due to their calcium-chelating ability. Citric acid is one of the active ingredients in Phexxi, a non-hormonal contraceptive agent that was approved by the FDA on May 2020. It is also used in combination with magnesium oxide to form magnesium citrate, an osmotic laxative.
| CAS Number | 117148-05-7 |
| PubChem CID | 19782904 |
| IUPAC Name | hydron;2-hydroxypropane-1,2,3-tricarboxylate |
| Molecular Formula | C6H8O7 |
| Molecular Weight | 192.12 |
| Topological Polar Surface Area | 141 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 211 |
| Property | Value |
|---|---|
| Molecular Weight | 192.12 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 192.02700259 |
| Monoisotopic Mass | 192.02700259 |
| Topological Polar Surface Area | 141 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 211 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 4 |
| Compound Is Canonicalized | Yes |
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